CID 2770918

4-{1h,2h,3h,4h-pyrrolo[1,2-a]pyrazin-1-yl}pyridine

Structural Information

Molecular Formula
C12H13N3
SMILES
C1CN2C=CC=C2C(N1)C3=CC=NC=C3
InChI
InChI=1S/C12H13N3/c1-2-11-12(10-3-5-13-6-4-10)14-7-9-15(11)8-1/h1-6,8,12,14H,7,9H2
InChIKey
MPRZWCUIBYQXCV-UHFFFAOYSA-N
Compound name
1-pyridin-4-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

199.11095 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.11823 143.8
[M+Na]+ 222.10017 151.2
[M-H]- 198.10367 145.6
[M+NH4]+ 217.14477 160.7
[M+K]+ 238.07411 146.2
[M+H-H2O]+ 182.10821 134.7
[M+HCOO]- 244.10915 161.1
[M+CH3COO]- 258.12480 155.1
[M+Na-2H]- 220.08562 149.9
[M]+ 199.11040 139.0
[M]- 199.11150 139.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe